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89-20-3 | 4-Chlorophthalic acid
CAS No: 89-20-3 Catalog No: AG00446W MDL No:MFCD00044755
Product Description
Catalog Number:
AG00446W
Chemical Name:
4-Chlorophthalic acid
CAS Number:
89-20-3
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD00044755
IUPAC Name:
4-chlorophthalic acid
InChI:
InChI=1S/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
DVIPPHSQIBKWSA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)C(=O)O
EC Number:
201-886-3
UNII:
F7T40O3AM6
NSC Number:
57755
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.574g/mol
Monoisotopic Mass:
199.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| [Simultaneous determination of monochlorophthalic anhydride and monochlorophthalic acid in substrates by high performance liquid chromatography]. | Se pu = Chinese journal of chromatography 20060901 |
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